2,3-dioxoquinoxaline-5-carboxylic acid

C9H4N2O4 — CID 67799393

IUPAC2,3-dioxoquinoxaline-5-carboxylic acid
SMILESO=C1N=c2cccc(C(=O)O)c2=NC1=O
InChIInChI=1S/C9H4N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,14,15)
InChIKeyWCSKMLIDXGIUEE-UHFFFAOYSA-N
MW204.14 g/mol
LogP-1.31
Rot. Bonds1

About 2,3-dioxoquinoxaline-5-carboxylic acid

2,3-dioxoquinoxaline-5-carboxylic acid (PubChem CID 67799393) has the molecular formula C9H4N2O4 and a molecular weight of 204.14 g/mol. Its IUPAC name is 2,3-dioxoquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dioxoquinoxaline-5-carboxylic acid
PubChem CID67799393
Molecular FormulaC9H4N2O4
Molecular Weight204.14 g/mol
Exact Mass204.02
IUPAC Name2,3-dioxoquinoxaline-5-carboxylic acid
SMILESO=C1N=c2cccc(C(=O)O)c2=NC1=O
InChIInChI=1S/C9H4N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,14,15)
InChIKeyWCSKMLIDXGIUEE-UHFFFAOYSA-N
XLogP-1.31
TPSA96.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxoquinoxaline-5-carboxylic acid?
The IUPAC name of 2,3-dioxoquinoxaline-5-carboxylic acid (CID 67799393) is 2,3-dioxoquinoxaline-5-carboxylic acid.
What is the SMILES notation for 2,3-dioxoquinoxaline-5-carboxylic acid?
The canonical SMILES for 2,3-dioxoquinoxaline-5-carboxylic acid is O=C1N=c2cccc(C(=O)O)c2=NC1=O.
What is the InChIKey of 2,3-dioxoquinoxaline-5-carboxylic acid?
The InChIKey is WCSKMLIDXGIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O4/c12-7-8(13)11-6-4(9(14)15)2-1-3-5(6)10-7/h1-3H,(H,14,15).
What are the key properties of 2,3-dioxoquinoxaline-5-carboxylic acid?
2,3-dioxoquinoxaline-5-carboxylic acid has a molecular weight of 204.14 g/mol, XLogP of -1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxoquinoxaline-5-carboxylic acid is sourced from PubChem (CID 67799393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).